COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.932   2.371   0.355  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.993   2.203   1.475  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.751   0.933   1.231  1.00  0.00           C  
HETATM    4  N   UNL     1      -8.716   0.393   0.003  1.00  0.00           N  
HETATM    5  S   UNL     1      -7.725   1.349  -0.953  1.00  0.00           S  
HETATM    6  O   UNL     1      -8.646   2.099  -1.733  1.00  0.00           O  
HETATM    7  O   UNL     1      -6.819   0.414  -1.524  1.00  0.00           O  
HETATM    8  O   UNL     1      -9.381   0.405   2.123  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.599   1.801   0.769  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.541   0.788   1.707  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.319   0.266   2.087  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.154   0.757   1.527  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.210   1.773   0.592  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.434   2.292   0.209  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.821   0.187   1.941  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.463  -0.988   1.029  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.427  -2.073   1.228  1.00  0.00           N  
HETATM   18  S   UNL     1      -3.739  -2.208   0.227  1.00  0.00           S  
HETATM   19  O   UNL     1      -4.301  -0.905   0.148  1.00  0.00           O  
HETATM   20  O   UNL     1      -4.428  -3.377   0.649  1.00  0.00           O  
HETATM   21  C   UNL     1       2.348  -1.303   1.213  1.00  0.00           C  
HETATM   22  N   UNL     1       1.001  -0.825   0.889  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.078  -1.479   1.362  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.483  -4.160  -3.053  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.186  -3.129  -3.924  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.958  -3.879  -1.785  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.135  -2.567  -1.389  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.843  -1.536  -2.262  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.364  -1.817  -3.528  1.00  0.00           C  
HETATM   30  C   UNL     1       4.791  -0.889   0.895  1.00  0.00           C  
HETATM   31  C   UNL     1       3.385  -0.390   0.556  1.00  0.00           C  
HETATM   32  O   UNL     1       0.065  -2.463   2.057  1.00  0.00           O  
HETATM   33 CL   UNL     1      -4.506   3.565  -0.970  1.00  0.00          Cl  
HETATM   34  C   UNL     1       5.828   0.024   0.238  1.00  0.00           C  
HETATM   35  C   UNL     1       7.234  -0.474   0.577  1.00  0.00           C  
HETATM   36  C   UNL     1       9.423  -0.111   0.298  1.00  0.00           C  
HETATM   37  C   UNL     1       9.526  -1.239   1.095  1.00  0.00           C  
HETATM   38  C   UNL     1      10.768  -1.739   1.437  1.00  0.00           C  
HETATM   39  C   UNL     1      11.921  -1.125   0.984  1.00  0.00           C  
HETATM   40  C   UNL     1      11.842   0.000   0.180  1.00  0.00           C  
HETATM   41  C   UNL     1      10.586   0.517  -0.173  1.00  0.00           C  
HETATM   42  C   UNL     1      10.490   1.712  -1.026  1.00  0.00           C  
HETATM   43  O   UNL     1      10.439   1.593  -2.234  1.00  0.00           O  
HETATM   44  O   UNL     1      10.458   2.938  -0.467  1.00  0.00           O  
HETATM   45  C   UNL     1      10.363   4.117  -1.309  1.00  0.00           C  
HETATM   46  O   UNL     1      12.975   0.601  -0.263  1.00  0.00           O  
HETATM   47  O   UNL     1       8.203   0.378  -0.036  1.00  0.00           O  
HETATM   48  H   UNL     1      -6.839   3.412   0.047  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.498   2.154   2.445  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.681   3.049   1.458  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.182  -0.409  -0.281  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.451   0.405   2.144  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.274  -0.525   2.820  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.299   2.156   0.155  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.879  -0.159   2.973  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.055   0.958   1.859  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.492  -0.662  -0.011  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.297  -2.712   1.946  1.00  0.00           H  
HETATM   59  H   UNL     1       2.472  -2.320   0.842  1.00  0.00           H  
HETATM   60  H   UNL     1       2.486  -1.292   2.294  1.00  0.00           H  
HETATM   61  H   UNL     1       0.887  -0.039   0.333  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.344  -5.186  -3.362  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.815  -3.349  -4.914  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.190  -4.685  -1.104  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.982  -0.510  -1.953  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.132  -1.011  -4.209  1.00  0.00           H  
HETATM   67  H   UNL     1       4.915  -1.906   0.524  1.00  0.00           H  
HETATM   68  H   UNL     1       4.930  -0.877   1.976  1.00  0.00           H  
HETATM   69  H   UNL     1       3.261   0.627   0.928  1.00  0.00           H  
HETATM   70  H   UNL     1       3.246  -0.401  -0.525  1.00  0.00           H  
HETATM   71  H   UNL     1       5.704   1.042   0.610  1.00  0.00           H  
HETATM   72  H   UNL     1       5.689   0.013  -0.843  1.00  0.00           H  
HETATM   73  H   UNL     1       7.358  -1.492   0.206  1.00  0.00           H  
HETATM   74  H   UNL     1       7.373  -0.463   1.658  1.00  0.00           H  
HETATM   75  H   UNL     1       8.632  -1.727   1.455  1.00  0.00           H  
HETATM   76  H   UNL     1      10.839  -2.617   2.063  1.00  0.00           H  
HETATM   77  H   UNL     1      12.887  -1.525   1.257  1.00  0.00           H  
HETATM   78  H   UNL     1      11.222   4.156  -1.979  1.00  0.00           H  
HETATM   79  H   UNL     1       9.446   4.071  -1.896  1.00  0.00           H  
HETATM   80  H   UNL     1      10.350   5.010  -0.683  1.00  0.00           H  
HETATM   81  H   UNL     1      13.218   1.263   0.399  1.00  0.00           H  
CONECT    1    2    5    9   48                                       
CONECT    2    1    3   49   50                                       
CONECT    3    2    4    8    8                                       
CONECT    4    3    5   51                                            
CONECT    5    1    4    6    6                                       
CONECT    5    7    7                                                 
CONECT    6    5    5                                                 
CONECT    7    5    5                                                 
CONECT    8    3    3                                                 
CONECT    9    1   10   10   14                                       
CONECT   10    9    9   11   52                                       
CONECT   11   10   12   12   53                                       
CONECT   12   11   11   13   15                                       
CONECT   13   12   14   14   54                                       
CONECT   14    9   13   13   33                                       
CONECT   15   12   16   55   56                                       
CONECT   16   15   17   23   57                                       
CONECT   17   16   18   58                                            
CONECT   18   17   19   19   20                                       
CONECT   18   20   27                                                 
CONECT   19   18   18                                                 
CONECT   20   18   18                                                 
CONECT   21   22   31   59   60                                       
CONECT   22   21   23   61                                            
CONECT   23   16   22   32   32                                       
CONECT   24   25   25   26   62                                       
CONECT   25   24   24   29   63                                       
CONECT   26   24   27   27   64                                       
CONECT   27   18   26   26   28                                       
CONECT   28   27   29   29   65                                       
CONECT   29   25   28   28   66                                       
CONECT   30   31   34   67   68                                       
CONECT   31   21   30   69   70                                       
CONECT   32   23   23                                                 
CONECT   33   14                                                      
CONECT   34   30   35   71   72                                       
CONECT   35   34   47   73   74                                       
CONECT   36   37   37   41   47                                       
CONECT   37   36   36   38   75                                       
CONECT   38   37   39   39   76                                       
CONECT   39   38   38   40   77                                       
CONECT   40   39   41   41   46                                       
CONECT   41   36   40   40   42                                       
CONECT   42   41   43   43   44                                       
CONECT   43   42   42                                                 
CONECT   44   42   45                                                 
CONECT   45   44   78   79   80                                       
CONECT   46   40   81                                                 
CONECT   47   35   36                                                 
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    2                                                      
CONECT   51    4                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   13                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   31                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   35                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
CONECT   77   39                                                      
CONECT   78   45                                                      
CONECT   79   45                                                      
CONECT   80   45                                                      
CONECT   81   46                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
